| A quantum chemical approach to dielectric solvent effects in molecular liquids JL Rivail, D Rinaldi Chemical Physics 18 (1-2), 233-242, 1976 | 448 | 1976 |
| Quantum mechanical computations on very large molecular systems: The local self‐consistent field method V Théry, D Rinaldi, JL Rivail, B Maigret, GG Ferenczy Journal of computational chemistry 15 (3), 269-282, 1994 | 435 | 1994 |
| Quantum chemical computations on parts of large molecules: the ab initio local self consistent field method X Assfeld, JL Rivail Chemical physics letters 263 (1-2), 100-106, 1996 | 378 | 1996 |
| Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives) A Perczel, JG Angyan, M Kajtar, W Viviani, JL Rivail, JF Marcoccia, ... Journal of the American chemical society 113 (16), 6256-6265, 1991 | 294 | 1991 |
| Ab initio analysis of water-assisted reaction mechanisms in amide hydrolysis S Antonczak, MF Ruiz-Lopez, JL Rivail Journal of the American Chemical Society 116 (9), 3912-3921, 1994 | 241 | 1994 |
| Molecular polarizability and dielectric effect of medium in the liquid phase. Theoretical study of the water molecule and its dimers D Rinaldi, JL Rivail Theoretica chimica acta 32, 57-70, 1973 | 232 | 1973 |
| Ab initio SCF calculations on electrostatically solvated molecules using a deformable three axes ellipsoidal cavity D Rinaldi, MF Ruiz‐Lopez, JL Rivail The Journal of Chemical Physics 78 (2), 834-838, 1983 | 225 | 1983 |
| Hybrid classical quantum force field for modeling very large molecules G Monard, M Loos, V Théry, K Baka, JL Rivail International journal of quantum chemistry 58 (2), 153-159, 1996 | 201 | 1996 |
| Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method N Ferré, X Assfeld, JL Rivail Journal of computational chemistry 23 (6), 610-624, 2002 | 167 | 2002 |
| Fast geometry optimizationin self‐cosistent reaction field computations on solvated molecules D Rinaldi, JL Rivail, N Rguini Journal of computational chemistry 13 (6), 675-680, 1992 | 166 | 1992 |
| Elements de chimie quantique à l'usage des chimistes JL Rivail EDP Sciences, 1999 | 163 | 1999 |
| A coupled density functional‐molecular mechanics Monte Carlo simulation method: The water molecule in liquid water I Tuñón, MTC Martins‐Costa, C Millot, MF Ruiz‐López, JL Rivail Journal of computational chemistry 17 (1), 19-29, 1996 | 160 | 1996 |
| Liquid-state quantum chemistry: An improved cavity model V Dillet, D Rinaldi, JL Rivail The Journal of Physical Chemistry 98 (19), 5034-5039, 1994 | 131 | 1994 |
| Theoretical modeling of large molecular systems. Advances in the local self consistent field method for mixed quantum mechanics/molecular mechanics calculations A Monari, JL Rivail, X Assfeld Accounts of chemical research 46 (2), 596-603, 2013 | 117 | 2013 |
| Modeling amino acid side chains. 1. Determination of net atomic charges from ab initio self-consistent-field molecular electrostatic properties C Chipot, B Maigret, JL Rivail, HA Scheraga The Journal of Physical Chemistry 96 (25), 10276-10284, 1992 | 116 | 1992 |
| NDDO fragment self‐consistent field approximation for large electronic systems GG Ferenczy, JL Rivail, PR Surján, G Náray‐Szabó Journal of computational chemistry 13 (7), 830-837, 1992 | 115 | 1992 |
| Hydroxide ion in liquid water: Structure, energetics, and proton transfer using a mixed discrete-continuum ab initio model I Tunon, D Rinaldi, MF Ruiz-Lopez, JL Rivail The Journal of Physical Chemistry 99 (11), 3798-3805, 1995 | 111 | 1995 |
| Liquid state quantum chemistry: A cavity model JL Rivail, B Terryn, D Rinaldi, MF Ruiz-Lopez Journal of Molecular Structure: THEOCHEM 120, 387-400, 1985 | 111 | 1985 |
| Énergie libre d’une distribution de charges électriques séparée d’un milieu diélectrique infini par une cavité ellipsoïdale quelconque, application à l’étude de la solvation … JL Rivail, B Terryn Journal de Chimie Physique 79, 1-6, 1982 | 107 | 1982 |
| Reaction field factors for a multipole distribution in a cavity surrounded by a continuum V Dillet, D Rinaldi, JG Ángyán, JL Rivail Chemical physics letters 202 (1-2), 18-22, 1993 | 105 | 1993 |